2-[[3-hydroxypropyl(methyl)amino]methyl]pyridine-3-carbohydrazide

C11H18N4O2 — CID 114230990

IUPAC2-[[3-hydroxypropyl(methyl)amino]methyl]pyridine-3-carbohydrazide
SMILESCN(CCCO)Cc1ncccc1C(=O)NN
InChIInChI=1S/C11H18N4O2/c1-15(6-3-7-16)8-10-9(11(17)14-12)4-2-5-13-10/h2,4-5,16H,3,6-8,12H2,1H3,(H,14,17)
InChIKeyMYEITWKNEYQZAW-UHFFFAOYSA-N
MW238.29 g/mol
LogP-0.50
Rot. Bonds6

About 2-[[3-hydroxypropyl(methyl)amino]methyl]pyridine-3-carbohydrazide

2-[[3-hydroxypropyl(methyl)amino]methyl]pyridine-3-carbohydrazide (PubChem CID 114230990) has the molecular formula C11H18N4O2 and a molecular weight of 238.29 g/mol. Its IUPAC name is 2-[[3-hydroxypropyl(methyl)amino]methyl]pyridine-3-carbohydrazide.

Molecular Properties

Compound Name2-[[3-hydroxypropyl(methyl)amino]methyl]pyridine-3-carbohydrazide
PubChem CID114230990
Molecular FormulaC11H18N4O2
Molecular Weight238.29 g/mol
Exact Mass238.14
IUPAC Name2-[[3-hydroxypropyl(methyl)amino]methyl]pyridine-3-carbohydrazide
SMILESCN(CCCO)Cc1ncccc1C(=O)NN
InChIInChI=1S/C11H18N4O2/c1-15(6-3-7-16)8-10-9(11(17)14-12)4-2-5-13-10/h2,4-5,16H,3,6-8,12H2,1H3,(H,14,17)
InChIKeyMYEITWKNEYQZAW-UHFFFAOYSA-N
XLogP-0.50
TPSA91.48 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.29
LogP ≤ 5-0.50
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyl_hydrazine', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-[[2-hydroxyethyl(methyl)amino]methyl]pyridine-3-carboxylic acid
CID 82187670
5-[(2-hydrazinyl-3-pyridinyl)methyl-methylamino]pentan-1-ol
CID 107204474
2-(trifluoromethyl)pyridine-3-carbohydrazide
CID 67037194
[2-[[9-[[3-(dimethylcarbamoyloxy)-2-pyridinyl]methyl-methylamino]nonyl-methylamino]methyl]-3-pyridinyl] N,N-dimethylcarbamate;perchloric acid
CID 88659974
N-[3-(dimethylamino)propyl]-2-hydrazinylpyridine-3-carboxamide
CID 60920879
[2-[[hexyl(methyl)amino]methyl]-3-pyridinyl] N,N-dimethylcarbamate
CID 3074951
3-(hydrazinecarbonyl)-N-methylpyridine-2-carboxamide
CID 140772564
2-[3-(dimethylamino)propylamino]pyridine-3-carboxamide
CID 29033562
2-[[methyl-[2-oxo-2-(propan-2-ylamino)ethyl]amino]methyl]pyridine-3-carboxylic acid
CID 114198494
3-[methyl(2-pyridin-2-ylethyl)amino]propan-1-ol
CID 43393524
2-[(2-methyl-1,2,4-triazol-3-yl)sulfanylmethyl]pyridine-3-carbohydrazide
CID 114199375
2-[[2-(dimethylamino)ethyl-methylamino]methyl]benzohydrazide
CID 55227180

Frequently Asked Questions

What is the IUPAC name of 2-[[3-hydroxypropyl(methyl)amino]methyl]pyridine-3-carbohydrazide?
The IUPAC name of 2-[[3-hydroxypropyl(methyl)amino]methyl]pyridine-3-carbohydrazide (CID 114230990) is 2-[[3-hydroxypropyl(methyl)amino]methyl]pyridine-3-carbohydrazide.
What is the SMILES notation for 2-[[3-hydroxypropyl(methyl)amino]methyl]pyridine-3-carbohydrazide?
The canonical SMILES for 2-[[3-hydroxypropyl(methyl)amino]methyl]pyridine-3-carbohydrazide is CN(CCCO)Cc1ncccc1C(=O)NN.
What is the InChIKey of 2-[[3-hydroxypropyl(methyl)amino]methyl]pyridine-3-carbohydrazide?
The InChIKey is MYEITWKNEYQZAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4O2/c1-15(6-3-7-16)8-10-9(11(17)14-12)4-2-5-13-10/h2,4-5,16H,3,6-8,12H2,1H3,(H,14,17).
What are the key properties of 2-[[3-hydroxypropyl(methyl)amino]methyl]pyridine-3-carbohydrazide?
2-[[3-hydroxypropyl(methyl)amino]methyl]pyridine-3-carbohydrazide has a molecular weight of 238.29 g/mol, XLogP of -0.50, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3-hydroxypropyl(methyl)amino]methyl]pyridine-3-carbohydrazide is sourced from PubChem (CID 114230990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).